TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.477 | Formula: C23H25N5O2
H donors: 1 H acceptors: 4 LogP: 3.08 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCC(CC1)c1onc(n1)c1ccccn1)NC1CCc2c(C1)cccc2
InChi: 1S/C23H25N5O2/c29-23(25-19-9-8-16-5-1-2-6-18(16)15-19)28-13-10-17(11-14-28)22-26-21(27-30-22)20-7-3-4-12-24-20/h1-7,12,17,19H,8-11,13-15H2,(H,25,29)
InChiKey: BYFSZZCFOSXKJG-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References
Rattus norvegicus	Epoxide hydrolase 2	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	References
Homo sapiens	epoxide hydrolase 2, cytoplasmic	Starlite/ChEMBL	References
Homo sapiens	sodium channel, voltage-gated, type V, alpha subunit	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	Get druggable targets OG5_126819	All targets in OG5_126819
Mycobacterium ulcerans	epoxide hydrolase EphA	Get druggable targets OG5_129061	All targets in OG5_129061
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Leishmania infantum	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Leishmania major	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	sodium channel protein	Get druggable targets OG5_126819	All targets in OG5_126819
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	Get druggable targets OG5_129061	All targets in OG5_129061
Leishmania donovani	calcium channel protein, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Leishmania braziliensis	calcium channel protein, putative,ion transporter, putative	Get druggable targets OG5_126819	All targets in OG5_126819
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0047	0.027	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1596	0.1596
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0016	0.0015	0.0015
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0084	0.0247
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.0254	0.0852
Echinococcus multilocularis	peroxidasin	0.0036	0.0174	0.0174
Loa Loa (eye worm)	acetylcholinesterase 1	0.1256	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.0176	0.0176
Entamoeba histolytica	Ran family GTPase	0.0022	0.0066	0.5279
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0223	0.1143
Schistosoma mansoni	gliotactin	0.0212	0.1596	0.1584
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0016	0.0015	0.0015
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0324	0.2492	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0212	0.1596	0.1584
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Loa Loa (eye worm)	carboxylesterase	0.0212	0.1596	0.1596
Brugia malayi	intermediate filament protein	0.0029	0.012	0.0108
Loa Loa (eye worm)	blistered cuticle protein 3	0.0036	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0015	0.0015
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0047	0.027	0.027
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0324	0.2492	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0076	0.0076
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0022	0.0066	0.0772
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0047	0.027	0.027
Schistosoma mansoni	lamin	0.0029	0.012	0.0105
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0223	0.1143
Brugia malayi	Animal haem peroxidase family protein	0.0036	0.0174	0.0162
Leishmania major	cytochrome p450-like protein	0.0023	0.0076	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Onchocerca volvulus		0.0036	0.0174	0.0365
Onchocerca volvulus	Dual oxidase homolog	0.0036	0.0174	0.0365
Onchocerca volvulus		0.0212	0.1596	1
Echinococcus multilocularis	geminin	0.0201	0.1508	0.1508
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0066	0.0054
Brugia malayi	Carboxylesterase family protein	0.0212	0.1596	0.1586
Echinococcus granulosus	geminin	0.0201	0.1508	0.1508
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0046	0.0033
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0311	0.0311
Echinococcus multilocularis	survival motor neuron protein 1	0.0246	0.1872	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0116	0.0116
Schistosoma mansoni	hypothetical protein	0.005	0.0292	0.0278
Echinococcus multilocularis	musashi	0.0029	0.012	0.012
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0045	0.0254	0.0852
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0212	0.1596	1
Schistosoma mansoni	intermediate filament proteins	0.0029	0.012	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1596	0.1596
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0084	0.0157
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0395	0.3066	1
Plasmodium falciparum	importin beta, putative	0.003	0.013	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.012	0.0108
Echinococcus granulosus	importin subunit beta 1	0.003	0.013	0.013
Echinococcus multilocularis	lamin dm0	0.0029	0.012	0.012
Echinococcus granulosus	sodium channel protein	0.0048	0.0276	0.0276
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0311	0.0311
Brugia malayi	Carboxylesterase family protein	0.0212	0.1596	0.1586
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0212	0.1596	0.5135
Onchocerca volvulus	Peroxidase homolog	0.0036	0.0174	0.0365
Echinococcus granulosus	acetylcholinesterase	0.1256	1	1
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.012	0.012
Loa Loa (eye worm)	animal heme peroxidase	0.0036	0.0174	0.0174
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0212	0.1596	0.5135
Echinococcus multilocularis	lamin	0.0029	0.012	0.012
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.013	0.0344
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0047	0.027	0.027
Schistosoma mansoni	ap endonuclease	0.002	0.0046	0.003
Trichomonas vaginalis	ran, putative	0.0022	0.0066	0.0131
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0324	0.2492	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0212	0.1596	0.1584
Loa Loa (eye worm)	carboxylesterase	0.1256	1	1
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1596	0.1596
Onchocerca volvulus	Peroxidase homolog	0.0036	0.0174	0.0365
Echinococcus granulosus	acetylcholinesterase	0.1256	1	1
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0076	0.0064
Mycobacterium ulcerans	carboxylesterase, LipT	0.0212	0.1596	0.5135
Brugia malayi	Animal haem peroxidase family protein	0.0036	0.0174	0.0162
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0022	0.0066	0.2408
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1141	0.1141
Echinococcus multilocularis	muscleblind protein	0.0156	0.1141	0.1141
Onchocerca volvulus		0.0212	0.1596	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0153	0.112	0.4393
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Onchocerca volvulus		0.0212	0.1596	1
Loa Loa (eye worm)	animal heme peroxidase	0.0036	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Brugia malayi	Animal haem peroxidase family protein	0.0036	0.0174	0.0162
Brugia malayi	hypothetical protein	0.0246	0.1872	0.1861
Toxoplasma gondii	hypothetical protein	0.0052	0.0308	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.0254	0.0852
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0311	0.0311
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.013	0.0344
Entamoeba histolytica	hypothetical protein	0.0024	0.0084	1
Schistosoma mansoni	importin beta-1	0.003	0.013	0.0115
Brugia malayi	Peroxidasin	0.0036	0.0174	0.0162
Loa Loa (eye worm)	CYP4Cod1	0.0023	0.0076	0.0076
Brugia malayi	Carboxylesterase family protein	0.0212	0.1596	0.1586
Schistosoma mansoni	hypothetical protein	0.0321	0.247	0.2459
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0076	0.0064
Brugia malayi	hypothetical protein	0.0036	0.0174	0.0162
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0016	0.0015	0.0003
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0321	0.247	0.247
Echinococcus granulosus	survival motor neuron protein 1	0.0246	0.1872	0.1872
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1256	1	1
Brugia malayi	Importin beta-1 subunit	0.003	0.013	0.0117
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0048	0.0276	0.0942
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0076	0.0076
Mycobacterium tuberculosis	Conserved hypothetical protein	0.017	0.126	0.402
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0084	0.0157
Echinococcus multilocularis	microtubule associated protein 2	0.0719	0.5677	0.5677
Onchocerca volvulus	Peroxidasin homolog	0.0036	0.0174	0.0365
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0212	0.1596	0.1596
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0022	0.0066	1
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1596	0.1596
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0076	0.0125
Echinococcus multilocularis	acetylcholinesterase	0.1256	1	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0046	0.0046
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0055	0.0334	0.1179
Schistosoma mansoni	hypothetical protein	0.0201	0.1508	0.1496
Trypanosoma brucei	cytochrome P450, putative	0.0023	0.0076	0.0125
Onchocerca volvulus	Chorion peroxidase homolog	0.0036	0.0174	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1141	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Trichomonas vaginalis	spcc417.12 protein, putative	0.0212	0.1596	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0212	0.1596	0.1596
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0046	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0311	0.0311
Brugia malayi	RNA, U transporter 1	0.0085	0.0576	0.0564
Onchocerca volvulus		0.005	0.0292	0.1166
Schistosoma mansoni	peroxidasin	0.0036	0.0174	0.0159
Onchocerca volvulus		0.0212	0.1596	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.012	0.012
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0023	0.0076	0.0101
Schistosoma mansoni	BC026374 protein (S09 family)	0.0212	0.1596	0.1584
Schistosoma mansoni	ran	0.0022	0.0066	0.0051
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0048	0.0276	0.0276
Onchocerca volvulus		0.0036	0.0174	0.0365
Echinococcus granulosus	lamin dm0	0.0029	0.012	0.012
Echinococcus multilocularis	muscleblind protein 1	0.0156	0.1141	0.1141
Schistosoma mansoni	survival motor neuron protein	0.005	0.0292	0.0278
Schistosoma mansoni	ap endonuclease	0.002	0.0046	0.003
Onchocerca volvulus	Peroxidasin homolog	0.0036	0.0174	0.0365
Brugia malayi	Animal haem peroxidase family protein	0.0036	0.0174	0.0162
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.013	0.3207
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0045	0.0254	0.0852
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0311	0.0311
Schistosoma mansoni	lamin	0.0029	0.012	0.0105
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0212	0.1596	0.1584
Brugia malayi	Animal haem peroxidase family protein	0.0036	0.0174	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Loa Loa (eye worm)	animal heme peroxidase	0.0036	0.0174	0.0174
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0212	0.1596	0.1584
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0311	0.0299
Loa Loa (eye worm)	hypothetical protein	0.1256	1	1
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1596	0.1596
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0022	0.0066	0.2408
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0084	0.0247
Echinococcus granulosus	para nitrobenzyl esterase	0.0212	0.1596	0.1596
Brugia malayi	hypothetical protein	0.0212	0.1596	0.1586
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0046	0.0046
Schistosoma mansoni	voltage-gated potassium channel	0.0052	0.0303	0.0288
Echinococcus granulosus	muscleblind protein	0.0156	0.1141	0.1141
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0153	0.112	0.4393
Echinococcus granulosus	voltage gated potassium channel	0.0016	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1596	0.1596
Echinococcus multilocularis	neuroligin	0.0212	0.1596	0.1596
Schistosoma mansoni	voltage-gated potassium channel	0.0052	0.0303	0.0288
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0311	0.0296
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0066	0.0066
Echinococcus granulosus	carboxylesterase 5A	0.1256	1	1
Loa Loa (eye worm)	hypothetical protein	0.1256	1	1
Loa Loa (eye worm)	carboxylesterase	0.0212	0.1596	0.1596
Echinococcus multilocularis	sodium channel protein	0.0048	0.0276	0.0276
Echinococcus granulosus	snurportin 1	0.0321	0.247	0.247
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0153	0.112	0.4393
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Schistosoma mansoni	peroxidasin	0.0036	0.0174	0.0159
Echinococcus granulosus	microtubule associated protein 2	0.0719	0.5677	0.5677
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0076	0.0125
Onchocerca volvulus		0.0036	0.0174	0.0365
Schistosoma mansoni	hypothetical protein	0.0201	0.1508	0.1496
Schistosoma mansoni	ran	0.0022	0.0066	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1596	0.1596
Onchocerca volvulus		0.0212	0.1596	1
Mycobacterium ulcerans	hypothetical protein	0.017	0.126	0.402
Echinococcus multilocularis	carboxylesterase 5A	0.1256	1	1
Echinococcus granulosus	intermediate filament protein	0.0029	0.012	0.012
Echinococcus multilocularis	importin subunit beta 1	0.003	0.013	0.013
Echinococcus multilocularis	snurportin 1	0.0321	0.247	0.247
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1872	0.1872
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0012	0.0012
Brugia malayi	Blistered cuticle protein 3	0.0036	0.0174	0.0162
Schistosoma mansoni	acetylcholinesterase	0.0212	0.1596	0.1584
Echinococcus multilocularis	voltage gated potassium channel	0.0016	0.0015	0.0015
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0046	0.0046
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0066	0.0083
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0066	0.0066
Echinococcus granulosus	BC026374 protein S09 family	0.0212	0.1596	0.1596
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0223	0.0223
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0084	0.0247
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0022	0.0066	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0174	0.0174
Echinococcus granulosus	neuroligin	0.0212	0.1596	0.1596
Brugia malayi	Cytochrome P450 family protein	0.0036	0.0176	0.0164
Brugia malayi	Carboxylesterase family protein	0.0212	0.1596	0.1586
Loa Loa (eye worm)	animal heme peroxidase	0.0036	0.0174	0.0174
Schistosoma mansoni	microtubule-associated protein tau	0.0719	0.5677	0.567
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.0292	0.028
Echinococcus granulosus	lamin	0.0029	0.012	0.012
Loa Loa (eye worm)	hypothetical protein	0.003	0.013	0.013
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0395	0.3066	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0066	0.0066
Brugia malayi	Muscleblind-like protein	0.0156	0.1141	0.113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0311	0.0296
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0212	0.1596	0.1596
Leishmania major	mitochondrial DNA polymerase beta	0.0324	0.2492	1
Brugia malayi	Carboxylesterase family protein	0.1256	1	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0066	0.0083
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0046	0.5
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0212	0.1596	0.5135
Echinococcus multilocularis	acetylcholinesterase	0.1256	1	1
Plasmodium vivax	importin-beta 2, putative	0.003	0.013	1
Leishmania major	GTP-binding protein, putative	0.0022	0.0066	0.0083
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0212	0.1596	0.1596
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0311	0.0296
Echinococcus granulosus	peroxidasin	0.0036	0.0174	0.0174

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8 nM	Inhibition of human sEH	ChEMBL.	19645482
IC50 (binding)	= 22 nM	Inhibition of rat sEH	ChEMBL.	19645482
IC50 (binding)	= 49 nM	Inhibition of human sEH in HEK293 cells assessed as conversion of 14,15-epoxyeicosatrienoic acid to 14,15-dihydroepoxyeicosatrienoic acid	ChEMBL.	19645482
IC50 (binding)	= 6 uM	Inhibition of IKr channel	ChEMBL.	19645482
IC50 (ADMET)	< 10 uM	Inhibition of CYP2C9	ChEMBL.	19645482
IC50 (ADMET)	< 10 uM	Inhibition of CYP2D6	ChEMBL.	19645482
IC50 (ADMET)	< 10 uM	Inhibition of CYP3A4	ChEMBL.	19645482
IC50 (binding)	> 10 uM	Inhibition of Nav1.5 channel	ChEMBL.	19645482
IC50 (binding)	> 30 uM	Inhibition of Cav 1.2 channel	ChEMBL.	19645482
IC50 (binding)	> 100 uM	Inhibition of human mEH	ChEMBL.	19645482

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL550242

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1103581